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CHEBI:134191 - 20-oxo-5-O-β-mycaminosyltylactone

Default Structure
ChEBI IDCHEBI:134191
ChEBI Name20-oxo-5-O-β-mycaminosyltylactone
Stars
ASCII Name20-oxo-5-O-beta-mycaminosyltylactone
DefinitionA macrolide antibiotic that is 20-oxotylactone having a β-D-mycaminosyl residue attached at position 5.
Last Modified13 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC31H51NO9
Net Charge0
Average Mass581.747
Monoisotopic Mass581.35638
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
InChIInChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKeyFERSDKADYZRIAA-CQGKBTLCSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Mycobacterium avium (ncbitaxon:1764) - PubMed (2817858)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) has functional parent tylactone (CHEBI:29700)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) has role bacterial metabolite (CHEBI:76969)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) is a aldehyde (CHEBI:17478)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) is a enone (CHEBI:51689)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) is a macrolide antibiotic (CHEBI:25105)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) is a monosaccharide derivative (CHEBI:63367)
20-oxo-5-O-β-mycaminosyltylactone (CHEBI:134191) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside
Synonyms  Source
23-Deoxy-5-O-beta-mycaminosyltylonolideKEGG COMPOUND
23-Deoxy-5-O-mycaminosyltylonolideChemIDplus
Deepoxycirramycin A1ChemIDplus
Manual XrefsDatabases
C20760KEGG COMPOUND
CPD-15945MetaCyc
US4334019Patent
Registry NumbersSources
Reaxys:6457636Reaxys
CAS:50507-46-5ChemIDplus
Citations